Bromocholine Bromide - ≥99% , CAS No.2758-06-7

CAS: 2758-06-7 Cat. No.: B108989 分子式: C₅H₁₃BrN 分子量: 246.97 EC番号: 220-419-4 PubChem CID: 17689

グレード＆純度 ≥99%

Synonyms

BETAB | Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide | AKOS015914942 | (2-bromoethyl)trimethylazanium bromide | BCB | Bromocholine bromide | 2-bromoethyl(trimethyl)ammonium | (BROMOETHYL)TRIMETHYLAMMONIUM BROMIDE | DTXSID10883725 | SCHEMBL786264 | BTAB

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

A thiol reactive alkyl halide and quaternary amine

仕様

同義語

BETAB | Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide | AKOS015914942 | (2-bromoethyl)trimethylazanium bromide | BCB | Bromocholine bromide | 2-bromoethyl(trimethyl)ammonium | (BROMOETHYL)TRIMETHYLAMMONIUM BROMIDE | DTXSID10883725 | SCHEMBL786264 | BTAB

仕様と純度

≥99%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

528757214

カノニカル・スマイル

C[N+](C)(C)CCBr.[Br-]

IUPAC Name

2-bromoethyl(trimethyl)azanium;bromide

InChIKey

OINMNSFDYTYXEQ-UHFFFAOYSA-M

INCHI

1S/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1

異性体SMILES

C[N+](C)(C)CCBr.[Br-]

WGKドイツ

3

RTECS

BO9481000

PubChem CID

17689

UN番号

2811

包装グループ

III

分子量

246.97

Reaxy-Rn

3913242

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organobromides Organic bromide salts Hydrocarbon derivatives Amines Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Soluble in DMSO and Methanol
• 感度: Light sensitive.moisture sensitive
• 融点（°C）: 244°C
• 分子量: 246.970 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 246.939 Da
• Monoisotopic Mass: 244.941 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3